%chk=000273931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273931

0 1
S 2.607219 -1.050478 -0.838313
S -2.601669 1.043258 -0.837754
O 1.801986 -0.134193 0.350531
O -1.812380 0.177946 0.401107
O 2.224858 -0.453594 -2.091171
O 2.232281 -2.410799 -0.529602
O -2.212699 0.398873 -2.063081
O -2.231807 2.420470 -0.594426
N 2.978302 3.413381 -0.493324
N -3.133139 -3.323740 -0.095123
C 0.567246 0.525925 0.024928
C -0.590907 -0.518057 0.088219
C 0.458528 1.628858 1.088242
C -0.381090 -1.560743 1.195622
C 0.594389 3.036200 0.494514
C -1.688075 -2.152428 1.734337
C 4.230622 -0.737789 -0.424533
C -4.227029 0.745262 -0.421916
C 1.917630 3.256845 -0.059573
C -2.477316 -2.817321 0.711300
C 4.975747 -1.700850 0.270538
C -4.951784 1.689951 0.317784
C 4.823659 0.485019 -0.772177
C -4.843912 -0.450189 -0.821119
C 6.301846 -1.449456 0.614543
C -6.279349 1.444572 0.661152
C 6.149514 0.741230 -0.427425
C -6.170584 -0.700241 -0.477535
C 6.899130 -0.222926 0.269160
C -6.899539 0.244401 0.267260
C 8.317041 0.060882 0.632381
C -8.320097 -0.029871 0.625360
H 0.642513 0.943179 -1.010549
H -0.717637 -1.019980 -0.904812
H -0.517138 1.552570 1.617554
H 1.239643 1.453485 1.860334
H 0.284639 -2.364596 0.796416
H 0.184419 -1.108897 2.037571
H -0.199893 3.198892 -0.287785
H 0.374022 3.800979 1.274895
H -1.463174 -2.865072 2.561189
H -2.301848 -1.328887 2.181766
H 4.514435 -2.658398 0.541410
H -4.474743 2.628825 0.623314
H 4.251256 1.247758 -1.318025
H -4.287494 -1.194535 -1.407884
H 6.874933 -2.203004 1.151414
H -6.837017 2.183949 1.233358
H 6.599813 1.697051 -0.695873
H -6.640348 -1.634492 -0.786535
H 8.784700 -0.745186 1.213368
H 8.401528 0.980418 1.232247
H 8.936018 0.210218 -0.266247
H -8.746176 0.716264 1.309574
H -8.434663 -1.012025 1.109604
H -8.958809 -0.043313 -0.272412


%chk=000273931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273931

0 1
S 2.487251 -0.817292 -0.877280
S -2.612361 1.116961 -0.700144
O 1.854607 0.111522 0.653995
O -1.907644 0.308460 0.865955
O 2.007841 0.044395 -2.161894
O 2.057249 -2.375206 -0.730205
O -1.974486 0.327191 -1.962089
O -2.400666 2.717714 -0.533471
N 3.180396 3.418716 -0.253068
N -2.789099 -3.343631 0.128673
C 0.519547 0.724853 0.462177
C -0.598345 -0.349321 0.640255
C 0.460534 1.888573 1.480001
C -0.386107 -1.284743 1.849438
C 0.754035 3.274412 0.840428
C -1.638995 -2.132020 2.206677
C 4.323018 -0.646793 -0.545665
C -4.415234 0.684098 -0.460639
C 2.092945 3.367648 0.234066
C -2.254603 -2.820089 1.058293
C 5.017262 -1.816713 -0.201408
C -5.273369 1.692090 0.003723
C 4.922422 0.616937 -0.678702
C -4.828224 -0.622716 -0.773225
C 6.409609 -1.706626 0.011143
C -6.638532 1.361321 0.156405
C 6.313313 0.692031 -0.455393
C -6.196366 -0.920799 -0.606704
C 7.074846 -0.459080 -0.112557
C -7.117735 0.059304 -0.144359
C 8.571402 -0.347717 0.110736
C -8.587137 -0.284804 0.008555
H 0.455620 1.114607 -0.576950
H -0.663199 -0.956017 -0.287100
H -0.557443 1.931819 1.905890
H 1.171707 1.684377 2.300036
H 0.468160 -1.939635 1.605880
H -0.113420 -0.697922 2.745169
H -0.012621 3.485772 0.069845
H 0.666363 4.064490 1.610524
H -1.365199 -2.885894 2.968515
H -2.412924 -1.476854 2.645936
H 4.491561 -2.772824 -0.114942
H -4.891980 2.694251 0.222794
H 4.344047 1.513909 -0.923908
H -4.122189 -1.382167 -1.124038
H 6.982115 -2.602625 0.275191
H -7.337027 2.126544 0.512250
H 6.809312 1.665116 -0.544858
H -6.548522 -1.932430 -0.836839
H 9.011234 -1.310804 0.419351
H 8.803745 0.399217 0.892093
H 9.086304 -0.020935 -0.812026
H -9.149093 0.528426 0.497416
H -8.723333 -1.203493 0.607574
H -9.052990 -0.470002 -0.977723


